2-cis,4-trans-xanthoxin

2-<i>cis</i>,4-<i>trans</i>-xanthoxin




Chemical Formula:
C15H22O3
Molecular Weight:
250.337 Daltons
Monoisotopic Mass:
250.1568945725 Daltons
SMILES:
CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O
InChI:
1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1
InChIKey:
ZTALKMXOHWQNIA-TVBSHJCBSA-N

Synonyms
  • xanthoxin

Databases
MetaCyc:  CPD-7279
PubChem (CID):  5282222
ChemSpider:  4445403
ChEBI:  32304
KEGG:  C13453
Seed:  cpd09439
MetaNetX:  MNXM1101